5-(2-fluoroethyl)-6-methyl-N-(4-phenylcyclohexyl)pyrimidin-4-amine

C19H24FN3 — CID 22097407

IUPAC5-(2-fluoroethyl)-6-methyl-N-(4-phenylcyclohexyl)pyrimidin-4-amine
SMILESCc1ncnc(NC2CCC(c3ccccc3)CC2)c1CCF
InChIInChI=1S/C19H24FN3/c1-14-18(11-12-20)19(22-13-21-14)23-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-6,13,16-17H,7-12H2,1H3,(H,21,22,23)
InChIKeyJBGJAXNEBJNWQD-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.44
Rot. Bonds5

About 5-(2-fluoroethyl)-6-methyl-N-(4-phenylcyclohexyl)pyrimidin-4-amine

5-(2-fluoroethyl)-6-methyl-N-(4-phenylcyclohexyl)pyrimidin-4-amine (PubChem CID 22097407) has the molecular formula C19H24FN3 and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-(2-fluoroethyl)-6-methyl-N-(4-phenylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-fluoroethyl)-6-methyl-N-(4-phenylcyclohexyl)pyrimidin-4-amine
PubChem CID22097407
Molecular FormulaC19H24FN3
Molecular Weight313.42 g/mol
Exact Mass313.20
IUPAC Name5-(2-fluoroethyl)-6-methyl-N-(4-phenylcyclohexyl)pyrimidin-4-amine
SMILESCc1ncnc(NC2CCC(c3ccccc3)CC2)c1CCF
InChIInChI=1S/C19H24FN3/c1-14-18(11-12-20)19(22-13-21-14)23-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-6,13,16-17H,7-12H2,1H3,(H,21,22,23)
InChIKeyJBGJAXNEBJNWQD-UHFFFAOYSA-N
XLogP4.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethyl)-6-methyl-N-(4-phenylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 5-(2-fluoroethyl)-6-methyl-N-(4-phenylcyclohexyl)pyrimidin-4-amine (CID 22097407) is 5-(2-fluoroethyl)-6-methyl-N-(4-phenylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(2-fluoroethyl)-6-methyl-N-(4-phenylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 5-(2-fluoroethyl)-6-methyl-N-(4-phenylcyclohexyl)pyrimidin-4-amine is Cc1ncnc(NC2CCC(c3ccccc3)CC2)c1CCF.
What is the InChIKey of 5-(2-fluoroethyl)-6-methyl-N-(4-phenylcyclohexyl)pyrimidin-4-amine?
The InChIKey is JBGJAXNEBJNWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3/c1-14-18(11-12-20)19(22-13-21-14)23-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-6,13,16-17H,7-12H2,1H3,(H,21,22,23).
What are the key properties of 5-(2-fluoroethyl)-6-methyl-N-(4-phenylcyclohexyl)pyrimidin-4-amine?
5-(2-fluoroethyl)-6-methyl-N-(4-phenylcyclohexyl)pyrimidin-4-amine has a molecular weight of 313.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethyl)-6-methyl-N-(4-phenylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 22097407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).